SCHEMBL1701200

SCHEMBL1701200

C=CCOC(=O)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CTSK P43235 10/20 0.41
CTSS P25774 6/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27895527 1.00 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL6719127 0.88 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL6722519 0.88 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL6722516 0.88 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL28968951 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL4371611 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL28968948 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15722121 0.87 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15722123 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL701700 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6038785-A None JP disclosed
EP-2566334-B1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2018-04-18 EP disclosed
EP-2566335-B1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2016-06-29 EP disclosed
US-8946405-B2 Controlled release from solid supports PROLYNX LLC (US) 2015-02-03 US disclosed
US-8754190-B2 Controlled release from macromolecular conjugates PROLYNX LLC (US) 2014-06-17 US disclosed
US-8703907-B2 Controlled drug release from dendrimers PROLYNX LLC (US) 2014-04-22 US disclosed
US-20130123487-A1 CONTROLLED RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2013-05-16 US disclosed
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2013-05-16 US disclosed
US-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC 2013-05-09 US disclosed
CN-103025165-A Controlled release from macromolecular conjugates PROLYNX LLC 2013-04-03 CN disclosed
EP-2571496-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS Prolynx Llc (US) 2013-03-27 EP disclosed
EP-2566334-A1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS Prolynx Llc (US) 2013-03-13 EP disclosed
EP-2566335-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES Prolynx Llc (US) 2013-03-13 EP disclosed
WO-2011140376-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2011-11-10 WO disclosed
WO-2011140392-A1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2011-11-10 WO disclosed
WO-2011140393-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2011-11-10 WO disclosed
US-6829540-B1 Data processing, drug screening using immobilized artificial membrane chromatographic substrates in high pressure liquid chromatographic systems using aqueous mobile phases PURDUE RESEARCH FOUNDATION 2004-12-07 US disclosed
EP-1015623-A1 DRUG DISCOVERY USING MULTIPLE MEMBRANE MIMETIC AFFINITIES PURDUE RESEARCH FOUNDATION (US) 2000-07-05 EP disclosed
WO-1999010522-A1 DRUG DISCOVERY USING MULTIPLE MEMBRANE MIMETIC AFFINITIES PURDUE RESEARCH FOUNDATION (US) 1999-03-04 WO disclosed
JP-H0638785-A BETA-GALACTOSIDASE-CATALYZED TRANSGLYCOSIDATION WITH UNPHYSIOLOGICAL GLYCOSYL DONOR HOECHST AG 1994-02-15 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130123487-A1 CONTROLLED RELEASE FROM SOLID SUPPORTS SLC43A1, ABCB1, NAPA SMN1; SMN2 1154/4885CYP1A2 2085/4885CYP2C9 542/4885
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS SLC43A1, SLC47A1, SLC47A2 SMN1; SMN2 2124/4885CYP1A2 2393/4885CYP2C9 809/4885
US-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES ABCB1, ABCB11, GUSB SMN1; SMN2 1698/4885CYP1A2 2001/4885CYP2C9 896/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.